Chemical Properties of Isoquinoline, decahydro- (CAS 6329-61-9)

InChI

InChI=1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2

InChI Key

NENLYAQPNATJSU-UHFFFAOYSA-N

Formula

C9H17N

SMILES

C1CCC2CNCCC2C1

Molecular Weight¹

139.24

CAS

6329-61-9

Other Names

• Decahydroisoquinoline
• Perhydroisoquinoline
• Perhydroisoquinoline,c&t

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3311		Relay (1.0) Calculated Property
ΔfG°	185.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.53	kJ/mol	Joback Calculated Property
ΔvapH°	62.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-1.73		Relay (1.0) Calculated Property
logPoct/wat	1.786		Crippen Calculated Property
McVol	125.930	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
I	[1520.00; 1560.00]
I	1560.00		NIST
I	1520.00		NIST
I	1560.00		NIST
Tboil	484.70	K	Relay (1.0) Calculated Property
Tc	718.28	K	Relay (1.0) Calculated Property
Tfus	340.29	K	Relay (1.0) Calculated Property
Vc	0.432	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.06; 398.52]	J/mol×K	[484.43; 716.50]
Cp,gas	289.06	J/mol×K	484.43	Joback Calculated Property
Cp,gas	310.41	J/mol×K	523.11	Joback Calculated Property
Cp,gas	330.45	J/mol×K	561.79	Joback Calculated Property
Cp,gas	349.23	J/mol×K	600.46	Joback Calculated Property
Cp,gas	366.80	J/mol×K	639.14	Joback Calculated Property
Cp,gas	383.22	J/mol×K	677.82	Joback Calculated Property
Cp,gas	398.52	J/mol×K	716.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isoquinoline, decahydro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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